1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine

C15H23FN2O3S — CID 95635970

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine
SMILESCOC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H23FN2O3S/c1-12-10-14(4-5-15(12)16)22(19,20)18-8-6-17(7-9-18)13(2)11-21-3/h4-5,10,13H,6-9,11H2,1-3H3/t13-/m1/s1
InChIKeyXUIJRYHHMXESPB-CYBMUJFWSA-N
MW330.43 g/mol
LogP1.48
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine

1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine (PubChem CID 95635970) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine
PubChem CID95635970
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine
SMILESCOC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H23FN2O3S/c1-12-10-14(4-5-15(12)16)22(19,20)18-8-6-17(7-9-18)13(2)11-21-3/h4-5,10,13H,6-9,11H2,1-3H3/t13-/m1/s1
InChIKeyXUIJRYHHMXESPB-CYBMUJFWSA-N
XLogP1.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-(4-bromo-3-methylphenyl)sulfonyl-4-butan-2-ylpiperazine
CID 62777859
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
2-chloro-1-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28705564
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 113073853
1,4-bis[(4-fluoro-3-methoxyphenyl)sulfonyl]-1,4-diazepane
CID 22332516
2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395948
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine (CID 95635970) is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine is COC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine?
The InChIKey is XUIJRYHHMXESPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-12-10-14(4-5-15(12)16)22(19,20)18-8-6-17(7-9-18)13(2)11-21-3/h4-5,10,13H,6-9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine?
1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine has a molecular weight of 330.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine is sourced from PubChem (CID 95635970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).